propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate

C15H21NO3 — CID 10999890

IUPACpropan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCC(C)OC(=O)[C@H]1C[C@](C)(c2ccccc2)ON1C
InChIInChI=1S/C15H21NO3/c1-11(2)18-14(17)13-10-15(3,19-16(13)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t13-,15-/m1/s1
InChIKeyGDJUTSSAEPLPDV-UKRRQHHQSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds3

About propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate

propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate (PubChem CID 10999890) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
PubChem CID10999890
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namepropan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCC(C)OC(=O)[C@H]1C[C@](C)(c2ccccc2)ON1C
InChIInChI=1S/C15H21NO3/c1-11(2)18-14(17)13-10-15(3,19-16(13)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t13-,15-/m1/s1
InChIKeyGDJUTSSAEPLPDV-UKRRQHHQSA-N
XLogP2.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate (CID 10999890) is propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate is CC(C)OC(=O)[C@H]1C[C@](C)(c2ccccc2)ON1C.
What is the InChIKey of propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is GDJUTSSAEPLPDV-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)18-14(17)13-10-15(3,19-16(13)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 10999890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).